2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide

C14H16N4O3 — CID 83066709

IUPAC2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H16N4O3/c1-9(2)17-13(19)8-16-11-6-7-15-14-10(11)4-3-5-12(14)18(20)21/h3-7,9H,8H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyNPOVAYMCTXDSRQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.08
Rot. Bonds5

About 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide

2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 83066709) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID83066709
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H16N4O3/c1-9(2)17-13(19)8-16-11-6-7-15-14-10(11)4-3-5-12(14)18(20)21/h3-7,9H,8H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyNPOVAYMCTXDSRQ-UHFFFAOYSA-N
XLogP2.08
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
4-[(8-nitroquinolin-4-yl)amino]butanoic acid
CID 83060998
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
3-[(8-nitroquinolin-4-yl)amino]pentanoic acid
CID 83066525
2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106290733
4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
CID 83060786
N-but-3-enyl-8-nitroquinolin-4-amine
CID 113465769
N-(1-methylsulfonylpropan-2-yl)-8-nitroquinolin-4-amine
CID 83067027
3-[(8-nitroquinolin-5-yl)amino]butanoic acid
CID 43449375
8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine
CID 83066870

Frequently Asked Questions

What is the IUPAC name of 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide (CID 83066709) is 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is NPOVAYMCTXDSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9(2)17-13(19)8-16-11-6-7-15-14-10(11)4-3-5-12(14)18(20)21/h3-7,9H,8H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 288.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 83066709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).